BMRB Entry 18390

Name: Chemical Shift Assignment and Solution Structure of ChR145 from Drosophila melanogaster. Northeast Structural Genomics Consortium Target Fr822A
Published: 2012-05-15

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PDB ID: 2lrq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18390
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Chemical Shift Assignment and Solution Structure of ChR145 from Drosophila melanogaster. Northeast Structural Genomics Consortium Target Fr822A

Deposition date:

2012-04-11

Original release date:

2012-05-15

Authors:

Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James

Citation:

Citation: Lee, Hsiau-Wei. "Solution Structure of Fr822A from Drosophila melanogaster." .

Assembly members:

Assembly members:
Fr822A, polymer, 170 residues, 20032.592 Da.

Natural source:

Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15Nano6HT_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Fr822A: MNYSTGTDANTLFVDGERVL CFHGPLIYEAKVLKTKPDAT PVEYYIHYAGWSKNWDEWVP ENRVLKYNDDNVKRRQELAR QCGERMNYSTGTDANTLFVD GERVLCFHGPLIYEAKVLKT KPDATPVEYYIHYAGWSKNW DEWVPENRVLKYNDDNVKRR QELARQCGER

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	321
15N chemical shifts	78
1H chemical shifts	494

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Fr822A	1

Entities:

Entity 1, Fr822A 170 residues - 20032.592 Da.

1	MET	ASN	TYR	SER	THR	GLY	THR	ASP	ALA	ASN
2	THR	LEU	PHE	VAL	ASP	GLY	GLU	ARG	VAL	LEU
3	CYS	PHE	HIS	GLY	PRO	LEU	ILE	TYR	GLU	ALA
4	LYS	VAL	LEU	LYS	THR	LYS	PRO	ASP	ALA	THR
5	PRO	VAL	GLU	TYR	TYR	ILE	HIS	TYR	ALA	GLY
6	TRP	SER	LYS	ASN	TRP	ASP	GLU	TRP	VAL	PRO
7	GLU	ASN	ARG	VAL	LEU	LYS	TYR	ASN	ASP	ASP
8	ASN	VAL	LYS	ARG	ARG	GLN	GLU	LEU	ALA	ARG
9	GLN	CYS	GLY	GLU	ARG	MET	ASN	TYR	SER	THR
10	GLY	THR	ASP	ALA	ASN	THR	LEU	PHE	VAL	ASP
11	GLY	GLU	ARG	VAL	LEU	CYS	PHE	HIS	GLY	PRO
12	LEU	ILE	TYR	GLU	ALA	LYS	VAL	LEU	LYS	THR
13	LYS	PRO	ASP	ALA	THR	PRO	VAL	GLU	TYR	TYR
14	ILE	HIS	TYR	ALA	GLY	TRP	SER	LYS	ASN	TRP
15	ASP	GLU	TRP	VAL	PRO	GLU	ASN	ARG	VAL	LEU
16	LYS	TYR	ASN	ASP	ASP	ASN	VAL	LYS	ARG	ARG
17	GLN	GLU	LEU	ALA	ARG	GLN	CYS	GLY	GLU	ARG

Samples:

NC_Sample: Fr822A, [U-100% 13C; U-100% 15N], 0.9 mM; sodium phosphate 20 mM; sodium chloride 200 mM; DTT 5 mM

Phage: Fr822A, [U-100% 15N], 0.9 mM; sodium phosphate 20 mM; sodium chloride 200 mM; Pf1 phage 12 mg; DTT 5 mM

C12E5: Fr822A, [U-100% 15N], 0.9 mM; sodium phosphate 20 mM; sodium chloride 200 mM; C12E5 4.2%; DTT 5 mM

Fr822A-NMR: ionic strength: 200 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_Sample	isotropic	Fr822A-NMR
2D 1H-13C HSQC aliphatic	NC_Sample	isotropic	Fr822A-NMR
2D 1H-13C HSQC aromatic	NC_Sample	isotropic	Fr822A-NMR
3D CBCA(CO)NH	NC_Sample	isotropic	Fr822A-NMR
3D C(CO)NH	NC_Sample	isotropic	Fr822A-NMR
3D HNCO	NC_Sample	isotropic	Fr822A-NMR
3D HNCA	NC_Sample	isotropic	Fr822A-NMR
3D HNCACB	NC_Sample	isotropic	Fr822A-NMR
3D HBHA(CO)NH	NC_Sample	isotropic	Fr822A-NMR
3D HCCH-TOCSY	NC_Sample	isotropic	Fr822A-NMR
3D 1H-15N NOESY	NC_Sample	isotropic	Fr822A-NMR
3D 1H-13C NOESY aliphatic	NC_Sample	isotropic	Fr822A-NMR
3D 1H-13C NOESY aromatic	NC_Sample	isotropic	Fr822A-NMR
2D 1H-15N NH-J-Modulation-HSQC	NC_Sample	isotropic	Fr822A-NMR
2D 1H-15N NH-J-Modulation-HSQC	Phage	anisotropic	Fr822A-NMR
2D 1H-15N NH-J-Modulation-HSQC	C12E5	anisotropic	Fr822A-NMR

Software:

SPARKY v3.14, Goddard - chemical shift assignment, data analysis

VNMRJ v2.1B, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - refinement

PSVS, Bhattacharya and Montelione - data analysis

NMR spectrometers:

Varian INOVA 600 MHz

1	MET	ASN	TYR	SER	THR	GLY	THR	ASP	ALA	ASN
2	THR	LEU	PHE	VAL	ASP	GLY	GLU	ARG	VAL	LEU
3	CYS	PHE	HIS	GLY	PRO	LEU	ILE	TYR	GLU	ALA
4	LYS	VAL	LEU	LYS	THR	LYS	PRO	ASP	ALA	THR
5	PRO	VAL	GLU	TYR	TYR	ILE	HIS	TYR	ALA	GLY
6	TRP	SER	LYS	ASN	TRP	ASP	GLU	TRP	VAL	PRO
7	GLU	ASN	ARG	VAL	LEU	LYS	TYR	ASN	ASP	ASP
8	ASN	VAL	LYS	ARG	ARG	GLN	GLU	LEU	ALA	ARG
9	GLN	CYS	GLY	GLU	ARG	MET	ASN	TYR	SER	THR
10	GLY	THR	ASP	ALA	ASN	THR	LEU	PHE	VAL	ASP
11	GLY	GLU	ARG	VAL	LEU	CYS	PHE	HIS	GLY	PRO
12	LEU	ILE	TYR	GLU	ALA	LYS	VAL	LEU	LYS	THR
13	LYS	PRO	ASP	ALA	THR	PRO	VAL	GLU	TYR	TYR
14	ILE	HIS	TYR	ALA	GLY	TRP	SER	LYS	ASN	TRP
15	ASP	GLU	TRP	VAL	PRO	GLU	ASN	ARG	VAL	LEU
16	LYS	TYR	ASN	ASP	ASP	ASN	VAL	LYS	ARG	ARG
17	GLN	GLU	LEU	ALA	ARG	GLN	CYS	GLY	GLU	ARG

1	MET	ASN	TYR	SER	THR	GLY	THR	ASP	ALA	ASN
2	THR	LEU	PHE	VAL	ASP	GLY	GLU	ARG	VAL	LEU
3	CYS	PHE	HIS	GLY	PRO	LEU	ILE	TYR	GLU	ALA
4	LYS	VAL	LEU	LYS	THR	LYS	PRO	ASP	ALA	THR
5	PRO	VAL	GLU	TYR	TYR	ILE	HIS	TYR	ALA	GLY
6	TRP	SER	LYS	ASN	TRP	ASP	GLU	TRP	VAL	PRO
7	GLU	ASN	ARG	VAL	LEU	LYS	TYR	ASN	ASP	ASP
8	ASN	VAL	LYS	ARG	ARG	GLN	GLU	LEU	ALA	ARG
9	GLN	CYS	GLY	GLU	ARG	MET	ASN	TYR	SER	THR
10	GLY	THR	ASP	ALA	ASN	THR	LEU	PHE	VAL	ASP
11	GLY	GLU	ARG	VAL	LEU	CYS	PHE	HIS	GLY	PRO
12	LEU	ILE	TYR	GLU	ALA	LYS	VAL	LEU	LYS	THR
13	LYS	PRO	ASP	ALA	THR	PRO	VAL	GLU	TYR	TYR
14	ILE	HIS	TYR	ALA	GLY	TRP	SER	LYS	ASN	TRP
15	ASP	GLU	TRP	VAL	PRO	GLU	ASN	ARG	VAL	LEU
16	LYS	TYR	ASN	ASP	ASP	ASN	VAL	LYS	ARG	ARG
17	GLN	GLU	LEU	ALA	ARG	GLN	CYS	GLY	GLU	ARG